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About This Item
Empirical Formula (Hill Notation):
C10H12O
CAS Number:
Molecular Weight:
148.20
UNSPSC Code:
12352002
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
4350913
Assay:
99%
assay
99%
optical activity
[α]17/D −32°, c = 2.5 in chloroform
optical purity
ee: 99% (HPLC)
bp
140 °C/17 mmHg (lit.)
mp
39-40 °C (lit.)
density
1.09 g/mL at 25 °C (lit.)
SMILES string
O[C@@H]1CCCc2ccccc12
InChI
1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2/t10-/m1/s1
InChI key
JAAJQSRLGAYGKZ-SNVBAGLBSA-N
Gene Information
human ... UGT2B17(7367), UGT2B7(7364)
Application
Chiral building block.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Ingo Bichlmaier et al.
Journal of medicinal chemistry, 49(5), 1818-1827 (2006-03-03)
A set of 28 enantiomers comprising rigid and flexible secondary alcohols was synthesized by the asymmetric Corey-Bakshi-Shibata reduction. The enantiomerically pure alcohols were subjected to enzymatic glucuronidation assays employing the human UDP-glucuronosyltransferases (UGTs) 2B7 and 2B17. Both UGTs displayed high
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 256285-500MG | 04061837392856 |
